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N-Benzoyl-3,5,6-o-tribenzylglucosamine

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N-Benzoyl-3,5,6-o-tribenzylglucosamine
SpectraBase Compound ID 6RSZBzYLauE
InChI InChI=1S/C34H35NO6/c36-21-30(35-34(38)29-19-11-4-12-20-29)33(41-24-28-17-9-3-10-18-28)32(37)31(40-23-27-15-7-2-8-16-27)25-39-22-26-13-5-1-6-14-26/h1-21,30-33,37H,22-25H2,(H,35,38)
InChIKey FQARTMUFFLBEBQ-UHFFFAOYSA-N
Mol Weight 553.7 g/mol
Molecular Formula C34H35NO6
Exact Mass 553.246438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0pAfACPnpS
Name N-Benzoyl-3,5,6-o-tribenzylglucosamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 553.246437845 u
Formula C34H35NO6
InChI InChI=1S/C34H35NO6/c36-21-30(35-34(38)29-19-11-4-12-20-29)33(41-24-28-17-9-3-10-18-28)32(37)31(40-23-27-15-7-2-8-16-27)25-39-22-26-13-5-1-6-14-26/h1-21,30-33,37H,22-25H2,(H,35,38)
InChIKey FQARTMUFFLBEBQ-UHFFFAOYSA-N
Molecular Weight 553.655 g/mol
SMILES C(O)(C(OCC=1C=CC=CC1)COCC1=CC=CC=C1)C(C(NC(=O)C1=CC=CC=C1)C=O)OCC1=CC=CC=C1